Information card for entry 1555897

Structure parameters

• Formula: C24 H17 F2 N O
• Calculated formula: C24 H17 F2 N O
• SMILES: FC(=Cc1c(n(c2ccccc12)C(=O)C)c1ccc(cc1)c1ccccc1)F
• Title of publication: Synthesis of Difluorinated Enynes through Sonogashira-Type Coupling.
• Authors of publication: Fujino, Takumi; Hinoue, Tomoaki; Usuki, Yoshinosuke; Satoh, Tetsuya
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 21
• Pages of publication: 5688 - 5691
• a: 8.4273 ± 0.0008 Å
• b: 9.8386 ± 0.0009 Å
• c: 22.562 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1870.7 ± 0.3 ų
• Cell temperature: 213 K
• Ambient diffraction temperature: 213 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0446
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.1056
• Weighted residual factors for all reflections included in the refinement: 0.1098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No